3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine

C18H19ClFNO3S — CID 46153741

IUPAC3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C18H19ClFNO3S/c19-18-6-2-1-4-14(18)13-24-16-5-3-11-21(12-16)25(22,23)17-9-7-15(20)8-10-17/h1-2,4,6-10,16H,3,5,11-13H2
InChIKeyFMLVLAXSPLGNDK-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.85
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine

3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 46153741) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
PubChem CID46153741
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C18H19ClFNO3S/c19-18-6-2-1-4-14(18)13-24-16-5-3-11-21(12-16)25(22,23)17-9-7-15(20)8-10-17/h1-2,4,6-10,16H,3,5,11-13H2
InChIKeyFMLVLAXSPLGNDK-UHFFFAOYSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
4-((3-Chloro-4-fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895243
4-((Benzyloxy)methyl)-1-((2,6-difluorophenyl)sulfonyl)piperidine
CID 49677832
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
2-chloro-N-(3-(2-phenylmorpholino)propyl)benzenesulfonamide
CID 16892770
4-((3-Chlorobenzyl)sulfonyl)-2-phenylmorpholine
CID 16895304
1-(Benzenesulfonyl)-3-phenylmethoxypiperidine
CID 46029116
(2-chloro-6-fluorophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2553435
3-chloro-4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892691
3-chloro-4-fluoro-N-(3-(2-phenylmorpholino)propyl)benzenesulfonamide
CID 16892778
3-chloro-4-fluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892865

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine (CID 46153741) is 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is FMLVLAXSPLGNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c19-18-6-2-1-4-14(18)13-24-16-5-3-11-21(12-16)25(22,23)17-9-7-15(20)8-10-17/h1-2,4,6-10,16H,3,5,11-13H2.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 383.87 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 46153741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).